Name: Name:4-[(2-oxopiperazin-1-yl)methyl]benzonitrile hydrochloride
Brand: Angene
SKU: AG019Q70
Rating: 90 (10 reviews)

4-[(2-oxopiperazin-1-yl)methyl]benzonitrile hydrochloride

CAS No.:

239072-80-1

Catalog Number:

AG019Q70

Molecular Formula:

C12H14ClN3O

Molecular Weight:

251.7121

Catalog Number:

AG019Q70

Chemical Name:

4-[(2-oxopiperazin-1-yl)methyl]benzonitrile hydrochloride

CAS Number:

239072-80-1

Molecular Formula:

C12H14ClN3O

Molecular Weight:

251.7121

MDL Number:

MFCD20441583

IUPAC Name:

4-[(2-oxopiperazin-1-yl)methyl]benzonitrile;hydrochloride

InChI:

InChI=1S/C12H13N3O.ClH/c13-7-10-1-3-11(4-2-10)9-15-6-5-14-8-12(15)16;/h1-4,14H,5-6,8-9H2;1H

InChI Key:

QMSWBUJJSWEMGZ-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)CN1CCNCC1=O.Cl

Complexity:

299

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.714g/mol

Monoisotopic Mass:

251.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: